Gaussian 16 Linux File

Here is comprehensive content regarding Gaussian 16 for Linux, structured as a technical guide or informational article. This covers everything from system requirements and installation to running jobs and common Linux commands.

Using with SLURM (submit.slurm):

export g16root=/opt
export GAUSS_SCRDIR=/scratch/gaussian   # Fast local scratch
export GAUSS_EXEDIR=$g16root/gaussian16
export PATH=$PATH:$g16root/gaussian16
export LD_LIBRARY_PATH=$g16root/gaussian16/bsd:$LD_LIBRARY_PATH
  • Checkpoint behavior

    GAUSS_SAVE_CHK=yes

    Cons

    1. Licensing & Installation Hassle

  • Handy-Modus